LMST01160016 LIPID_MAPS_STRUCTURE_DATABASE 56 62 0 0 0 999 V2000 0.7144 -1.1178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7555 2.2097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5396 1.3551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6006 0.9180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7678 -2.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8015 2.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3823 -3.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4243 0.3110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3154 1.6463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2356 3.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8365 3.0384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3127 2.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1035 0.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1035 -0.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2489 -0.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3943 -0.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4962 -0.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2489 1.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3943 0.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7333 1.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4884 -1.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2646 -1.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0513 2.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5816 -0.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1035 1.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6462 -0.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 -1.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -2.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3785 -2.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5038 0.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6727 0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8133 2.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9666 2.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6060 0.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3316 1.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2968 0.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8414 3.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2021 2.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6323 1.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0330 3.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2303 2.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9835 0.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3035 0.1676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8211 1.6346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9581 1.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8127 0.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8127 -0.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7477 3.6154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2021 -0.9693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3943 -0.8751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5198 -0.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2610 -1.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9681 -2.5052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2950 -2.0569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4755 -2.3244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9831 0.6551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26 1 1 6 0 0 0 27 1 1 6 0 0 0 18 2 1 6 0 0 0 2 37 1 0 0 0 0 19 3 1 6 0 0 0 3 38 1 0 0 0 0 24 4 1 6 0 0 0 4 39 1 0 0 0 0 22 5 1 1 0 0 0 6 32 1 0 0 0 0 6 35 1 0 0 0 0 7 29 2 0 0 0 0 31 8 1 1 0 0 0 9 35 2 0 0 0 0 11 38 2 0 0 0 0 12 39 2 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 25 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 15 43 1 1 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 21 1 0 0 0 0 17 24 1 0 0 0 0 17 30 1 1 0 0 0 18 19 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 20 34 1 1 0 0 0 21 28 1 0 0 0 0 21 29 1 0 0 0 0 22 29 1 0 0 0 0 23 33 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 31 35 1 0 0 0 0 31 36 1 0 0 0 0 32 33 2 0 0 0 0 37 40 1 0 0 0 0 38 41 1 0 0 0 0 39 42 1 0 0 0 0 13 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 14 47 1 0 0 0 23 10 1 6 0 0 0 45 23 1 0 0 0 0 46 20 1 0 0 0 0 46 44 1 1 0 0 0 37 48 2 0 0 0 14 49 1 6 0 0 16 50 1 6 0 0 47 51 1 6 0 0 51 52 1 0 0 0 52 53 1 0 0 0 52 54 2 0 0 0 21 55 1 6 0 0 45 56 1 6 0 0 M END > LMST01160016 > Taccalonolide A > (2R,3R,5S)-2-(1-hydroxy-1-methyl-ethyl)-5-[(3R,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]tetrahydropyran-3-ol > C36H46O14 > 702.29 > Sterol Lipids [ST] > Sterols [ST01] > Withanolides and derivatives [ST0116] > - > AC1L9BGV; CHEMBL1821838 > C08635 > - > - > 9388 > - > - > - > - > - > 441685 > - > - > Active > - > https://www.lipidmaps.org/data/LMSDRecord.php?LMID=LMST01160016 $$$$